8X9A
| Cryo-EM structure of coxsackievirus A16 empty particle in complex with Fab h1A6.2 | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | Authors: | Jiang, Y, Huang, Y, Zhu, R, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2023-11-29 | Release date: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Cryo-EM structure of coxsackievirus A16 empty particle in complex with Fab h1A6.2 To Be Published
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9F4G
| UP1 in complex with Z1373445602 | Descriptor: | 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-27 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4M
| UP1 in complex with Z1401276297 | Descriptor: | (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4K
| UP1 in complex with ZINC72259689 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4T
| UP1 in complex with EN300-805013 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(4-methoxyphenyl)glycinamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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8XJJ
| Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 | Descriptor: | 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1 | Authors: | Ren, X. | Deposit date: | 2023-12-21 | Release date: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers. Mol.Cancer Ther., 2024
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9EQH
| WWP2 WW2-2,3-linker-HECT (WWP2-LH) | Descriptor: | GLYCEROL, Isoform 2 of NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION | Authors: | Dudey, A.P, Hemmings, A.M. | Deposit date: | 2024-03-21 | Release date: | 2024-05-15 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Expanding the inhibitor space of the WWP1 and WWP2 HECT E3 ligases. J Enzyme Inhib Med Chem, 39, 2024
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9F4S
| UP1 in complex with Z56880342 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9FTH
| Open conformation of the pentameric ligand-gated ion channel, DeCLIC at pH 5 with 10mM Ca2+ | Descriptor: | Neurotransmitter-gated ion-channel ligand-binding domain-containing protein | Authors: | Rovsnik, U, Anden, O, Lycksell, M, Delarue, M, Howard, R.J, Lindahl, E. | Deposit date: | 2024-06-24 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural characterization of pH-modulated closed and open states
in a pentameric ligand-gated ion channel To Be Published
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8XVC
| CryoEM structure of ADP-DNA-MuB conformation1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent target DNA activator B | Authors: | Zhao, X, Zhang, K, Li, S. | Deposit date: | 2024-01-14 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Elucidating the Architectural dynamics of MuB filaments in bacteriophage Mu DNA transposition. Nat Commun, 15, 2024
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9F50
| UP1 in complex with Z906021418 | Descriptor: | 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9AVA
| Co-crystal structure of human TREX1 in complex with an inhibitor | Descriptor: | (2R)-2-[(5R,6S,8R,9aS)-8-amino-1-oxo-5-(2-phenylethyl)hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2(3H)-yl]-N-[(3,4-dichlorophenyl)methyl]-4-methylpentanamide, POTASSIUM ION, Three-prime repair exonuclease 1, ... | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Xu, J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-03-01 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
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9EVD
| In situ structure of the peripheral stalk of the mitochondrial ATPsynthase in whole Polytomella cells | Descriptor: | ASA-10: Polytomella F-ATP synthase associated subunit 10, ASA-9: Polytomella F-ATP synthase associated subunit 9, ATP synthase associated protein ASA1, ... | Authors: | Dietrich, L, Agip, A.N.A, Kuehlbrandt, W. | Deposit date: | 2024-03-29 | Release date: | 2024-09-18 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | In situ structure and rotary states of mitochondrial ATP synthase in whole Polytomella cells. Science, 385, 2024
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8YL5
| The DSR2-DSAD1 complex with DSAD1 on the same sides | Descriptor: | DSAD1, SIR2-like domain-containing protein | Authors: | Yang, X, Zheng, J. | Deposit date: | 2024-03-05 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into autoinhibition and activation of defense-associated sirtuin protein. Int.J.Biol.Macromol., 277, 2024
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9B0E
| Cryo-EM Structure of E.coli produced recombinant N-acetyltransferase 10 (NAT10) in complex with cytidine-amide-CoA bisubstrate probe and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RNA cytidine acetyltransferase, [[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[[1-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | Authors: | Zhou, M, Marmorstein, R. | Deposit date: | 2024-03-12 | Release date: | 2024-09-11 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Molecular Basis for RNA Cytidine Acetylation by NAT10. Biorxiv, 2024
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9F51
| UP1 in complex with Z608065044 | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9FGP
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8ZTR
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9F5F
| UP1 in complex with Z992569480 | Descriptor: | (3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9BN9
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9F5G
| UP1 in complex with EN300-115958 | Descriptor: | 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | Authors: | Dunnett, L, Prischi, F. | Deposit date: | 2024-04-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9C1B
| Crystal structure of GDP-bound human M-RAS protein in crystal form II | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Bester, S.M, Abrahamsen, R, Samora, L.R, Wu, W.-I, Mou, T.-C. | Deposit date: | 2024-05-28 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of the GDP-bound human M-RAS protein in two crystal forms. Acta Crystallogr.,Sect.F, 80, 2024
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9BE2
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9BD0
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9C1A
| Crystal structure of GDP-bound human M-RAS protein in crystal form I | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Bester, S.M, Abrahamsen, R, Samora, L.R, Wu, W.-I, Mou, T.-C. | Deposit date: | 2024-05-28 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of the GDP-bound human M-RAS protein in two crystal forms. Acta Crystallogr.,Sect.F, 80, 2024
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